REMARK  Name = BDB046758
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.422   0.482   0.532  0.00  0.00    +0.252 C 
ATOM      2  N   LIG    1        0.804  -0.757   0.056  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1        0.052  -1.421  -0.108  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1        1.175   1.396   0.846  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.022  -0.013  -0.026  0.00  0.00    +0.133 A 
ATOM      6  C   LIG    1       -1.051   0.687   0.703  0.00  0.00    +0.079 A 
ATOM      7  C   LIG    1       -1.470   1.652   1.634  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -2.834   1.895   1.853  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1       -3.790   1.163   1.140  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -3.383   0.206   0.207  0.00  0.00    +0.047 A 
BRANCH   8  11
ATOM     11  C   LIG    1       -3.223   2.920   2.866  0.00  0.00    +0.160 C 
ATOM     12  O   LIG    1       -2.385   3.343   3.659  0.00  0.00    -0.292 OA
ATOM     13  C   LIG    1       -4.649   3.404   2.904  0.00  0.00    +0.091 C 
ENDBRANCH   8  11
BRANCH   5  14
ATOM     14  O   LIG    1       -1.682  -0.977  -0.942  0.00  0.00    -0.491 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -1.188  -1.496  -3.222  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -1.668  -0.419  -2.267  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   5  14
ENDBRANCH   1   6
BRANCH   2  17
ATOM     17  C   LIG    1        2.107  -1.206  -0.238  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        3.243  -0.399  -0.178  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        4.497  -0.941  -0.483  0.00  0.00    +0.061 A 
ATOM     20  C   LIG    1        4.630  -2.279  -0.868  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        3.497  -3.083  -0.939  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        2.244  -2.548  -0.626  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  C   LIG    1        5.687  -0.069  -0.426  0.00  0.00    +0.337 C 
ATOM     24  O   LIG    1        5.774   0.993  -1.014  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        6.655  -0.588   0.359  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        6.371  -1.367   0.874  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH   2  17
TORSDOF 7